4,5,6,7-Tetrahydro-3,6,6-trimethyl-4-oxo-2-benzofurancarboxylic acid

CAS Registry Number®

121625-80-7

CAS Name

4,5,6,7-Tetrahydro-3,6,6-trimethyl-4-oxo-2-benzofurancarboxylic acid

Molecular Formula

C12H14O4

Molecular Mass

222.24

Cite this Page

4,5,6,7-Tetrahydro-3,6,6-trimethyl-4-oxo-2-benzofurancarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=121625-80-7 (retrieved 2024-11-30) (CAS RN: 121625-80-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    195-197 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C12H14O4/c1-6-9-7(13)4-12(2,3)5-8(9)16-10(6)11(14)15/h4-5H2,1-3H3,(H,14,15)

InChIKey

InChIKey=AUDCUKXUYOTTBM-UHFFFAOYSA-N

SMILES

CC=1C2=C(OC1C(O)=O)CC(C)(C)CC2=O

Canonical SMILES

O=C(O)C=1OC2=C(C(=O)CC(C)(C)C2)C1C

Other Names for this Substance

  • 2-Benzofurancarboxylic acid, 4,5,6,7-tetrahydro-3,6,6-trimethyl-4-oxo-
  • 4,5,6,7-Tetrahydro-3,6,6-trimethyl-4-oxo-2-benzofurancarboxylic acid
  • 3,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydro-benzofuran-2-carboxylic acid
  • 3,6,6-Trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylic acid
  • 3,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid

CAS INSIGHTSTM
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